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614-99-3 | Ethyl furan-2-carboxylate
CAS No: 614-99-3 Catalog No: AG003Q46 MDL No:MFCD00003237
Product Description
Catalog Number:
AG003Q46
Chemical Name:
Ethyl furan-2-carboxylate
CAS Number:
614-99-3
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
MDL Number:
MFCD00003237
IUPAC Name:
ethyl furan-2-carboxylate
InChI:
InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChI Key:
NHXSTXWKZVAVOQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccco1
UNII:
S1H449R92T
NSC Number:
2304
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Defining the typical aroma of sherry vinegar: sensory and chemical approach. | Journal of agricultural and food chemistry 20080910 |
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